N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine

C11H21N3O3S — CID 54952619

IUPACN'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine
SMILESCc1occc1CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H21N3O3S/c1-10-11(5-8-17-10)9-14(3)18(15,16)13(2)7-4-6-12/h5,8H,4,6-7,9,12H2,1-3H3
InChIKeyOINIXQUCKIWRSH-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.55
Rot. Bonds7

About N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine

N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine (PubChem CID 54952619) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine
PubChem CID54952619
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine
SMILESCc1occc1CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H21N3O3S/c1-10-11(5-8-17-10)9-14(3)18(15,16)13(2)7-4-6-12/h5,8H,4,6-7,9,12H2,1-3H3
InChIKeyOINIXQUCKIWRSH-UHFFFAOYSA-N
XLogP0.55
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
CID 61456100
N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
CID 61456683
N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-2-sulfonamide
CID 61384057
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
CID 61426506
2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide
CID 107651758
3-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 107343380
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387654
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide
CID 136571371
3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426284
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine (CID 54952619) is N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine is Cc1occc1CN(C)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine?
The InChIKey is OINIXQUCKIWRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-10-11(5-8-17-10)9-14(3)18(15,16)13(2)7-4-6-12/h5,8H,4,6-7,9,12H2,1-3H3.
What are the key properties of N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine?
N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine has a molecular weight of 275.37 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 54952619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).