4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide

C14H32N4O2S — CID 43252361

IUPAC4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide
SMILESCCC(CCN)N1CCCN(S(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C14H32N4O2S/c1-4-14(8-9-15)16-10-7-11-18(13-12-16)21(19,20)17(5-2)6-3/h14H,4-13,15H2,1-3H3
InChIKeyRLZVEKUVLMMRFM-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.71
Rot. Bonds8

About 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide

4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide (PubChem CID 43252361) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound Name4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide
PubChem CID43252361
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC Name4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide
SMILESCCC(CCN)N1CCCN(S(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C14H32N4O2S/c1-4-14(8-9-15)16-10-7-11-18(13-12-16)21(19,20)17(5-2)6-3/h14H,4-13,15H2,1-3H3
InChIKeyRLZVEKUVLMMRFM-UHFFFAOYSA-N
XLogP0.71
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide (CID 43252361) is 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide is CCC(CCN)N1CCCN(S(=O)(=O)N(CC)CC)CC1.
What is the InChIKey of 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide?
The InChIKey is RLZVEKUVLMMRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-4-14(8-9-15)16-10-7-11-18(13-12-16)21(19,20)17(5-2)6-3/h14H,4-13,15H2,1-3H3.
What are the key properties of 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide?
4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 43252361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).