N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine

C15H26N6O2S — CID 135118481

IUPACN,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine
SMILESCN(C)c1nccnc1N1CCCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H26N6O2S/c1-18(2)14-15(17-7-6-16-14)19-8-5-11-21(13-12-19)24(22,23)20-9-3-4-10-20/h6-7H,3-5,8-13H2,1-2H3
InChIKeyJNGQRICLTLLWSO-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.40
Rot. Bonds4

About N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine

N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine (PubChem CID 135118481) has the molecular formula C15H26N6O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine
PubChem CID135118481
Molecular FormulaC15H26N6O2S
Molecular Weight354.48 g/mol
Exact Mass354.18
IUPAC NameN,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine
SMILESCN(C)c1nccnc1N1CCCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H26N6O2S/c1-18(2)14-15(17-7-6-16-14)19-8-5-11-21(13-12-19)24(22,23)20-9-3-4-10-20/h6-7H,3-5,8-13H2,1-2H3
InChIKeyJNGQRICLTLLWSO-UHFFFAOYSA-N
XLogP0.40
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-4-pyrimidin-2-yl-1,4-diazepane
CID 30397162
1-(3-methyl-2-pyridinyl)-4-methylsulfonyl-1,4-diazepane
CID 51346045
3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine
CID 136589078
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543
1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 46981276
4,5-dimethyl-6-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 72840000
N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122340459
1-pyrrolidin-1-ylsulfonyl-4-(4,5,6-trimethylpyrimidin-2-yl)-1,4-diazepane
CID 163318592
2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline
CID 134706927
(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 125014655
1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol
CID 72843498

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine (CID 135118481) is N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine is CN(C)c1nccnc1N1CCCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine?
The InChIKey is JNGQRICLTLLWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2S/c1-18(2)14-15(17-7-6-16-14)19-8-5-11-21(13-12-19)24(22,23)20-9-3-4-10-20/h6-7H,3-5,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine?
N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine has a molecular weight of 354.48 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine is sourced from PubChem (CID 135118481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).