N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide

C14H30N4O2S — CID 106087127

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCC2(N(C)C)CCC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-15-11-13-5-9-18(10-6-13)21(19,20)16-12-14(17(2)3)7-4-8-14/h13,15-16H,4-12H2,1-3H3
InChIKeyGATZMSNWVYBDNK-UHFFFAOYSA-N
MW318.49 g/mol
LogP0.24
Rot. Bonds7

About N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106087127) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106087127
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCC2(N(C)C)CCC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-15-11-13-5-9-18(10-6-13)21(19,20)16-12-14(17(2)3)7-4-8-14/h13,15-16H,4-12H2,1-3H3
InChIKeyGATZMSNWVYBDNK-UHFFFAOYSA-N
XLogP0.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091032
N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide
CID 83121463
N-[[1-(dimethylamino)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 61252713
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
4-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]piperidine-1-sulfonamide
CID 106090911
N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 62654686
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073030
4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423659
1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978145
N-(3,3-dimethylcyclopentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 114552127

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106087127) is N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCC2(N(C)C)CCC2)CC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is GATZMSNWVYBDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-15-11-13-5-9-18(10-6-13)21(19,20)16-12-14(17(2)3)7-4-8-14/h13,15-16H,4-12H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 318.49 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106087127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).